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β‐Cyclodextrin dimethylformamide 12.5 hydrate: a deeper insight into β‐cyclodextrin crystal packing
Author(s) -
GraneroGarcía Rubén,
Fabbiani Francesca P. A.
Publication year - 2014
Publication title -
acta crystallographica section b
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.604
H-Index - 33
ISSN - 2052-5206
DOI - 10.1107/s2052520614002285
Subject(s) - cyclodextrin , hydrate , clathrate hydrate , chemistry , chemical engineering , materials science , chromatography , organic chemistry , engineering
The structure of a 1:1 β‐cyclodextrin–dimethylformamide hydrated complex has been determined from single‐crystal X‐ray diffraction data. A complete study of the structure is presented herein, including invariom refinement and interaction energy calculations. The structure has unit‐cell parameters that are different from those of other β‐cyclodextrin complexes crystallizing in the same space group, but exhibits the known herringbone packing type. A structural comparison of these complexes has been carried out with XPac in order to understand the origin of the differences in packing and unit‐cell parameters. The results show that the differences are most likely ascribed to variations in hydration and in the hydrogen‐bonded network.